SCHEMBL2539003

SCHEMBL2539003

COc1ccc2c(CO)ccc(CC(NC(=O)OC(C)(C)C)C3CCC(N(CC=Cc4cc(F)ccc4F)C(=O)OC(C)(C)C)CC3)c2n1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.31
DPP9 Q86TI2 2/20 0.31
DPP7 Q9UHL4 2/20 0.31
DPP8 Q6V1X1 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2538995 1.00 DPP4 (0.31) DPP4DPP9DPP7DPP8
SCHEMBL2360388 0.93
SCHEMBL3828466 0.92 SCN9A (0.30) DPP4DPP9DPP7DPP8
SCHEMBL3828461 0.92 SCN9A (0.30) DPP4DPP9DPP7DPP8
SCHEMBL2539000 0.87
SCHEMBL2324937 0.85
SCHEMBL2331809 0.85
SCHEMBL2360391 0.85
SCHEMBL2541819 0.79 SCN9A (0.32)
SCHEMBL2541821 0.79 SCN9A (0.32)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094267-B1 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-04-22 EP disclosed
US-8044044-B2 4-(1-amino-ethyl)-cyclohexylamine derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-10-25 US disclosed
US-20100029623-A1 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-02-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100029623-A1 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES AHR, KRAS, CNKSR1 DPP4 3755/4885DPP9 4246/4885DPP7 4318/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.